(E)-1-(2,3-(1,2-dihydro(C60-Ih)[5,6]fullereno)-6-methyl-2,3-dihydro-1H-inden-1-ylidene)propan-2-one | 1042072-35-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: (E)-1-(2,3-(1,2-dihydro(C60-Ih)[5,6]fullereno)-6-methyl-2,3-dihydro-1H-inden-1-ylidene)propan-2-one
• CAS: 1042072-35-4
• 化学式: C₇₁H₁₀O
• 分子量: 878.86
• InChiKey: QUUAKJGACLMEJS-IZZDOVSWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.6
• 重原子数：
  72
• 可旋转键数：
  1
• 环数：
  34.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-(4-methylphenyl)-1,9-dihydro[60]fullerene 、 乙酰氯 在 aluminum (III) chloride 作用下， 以 邻二氯苯 为溶剂， 反应 0.5h， 以63%的产率得到(E)-1-(2,3-(1,2-dihydro(C60-Ih)[5,6]fullereno)-6-methyl-2,3-dihydro-1H-inden-1-ylidene)propan-2-one
  参考文献：
  名称：

  AlCl₃-Catalyzed Tandem Acetylation of Hydroarylated [60]Fullerenes

  摘要：

  The AlCl(3)-catalyzed acetylation of 1,2-hydrophenylated [60]fullerenes, HC(60)-Ar, proceeded via a sequential manner involving the acetylation at the hydrogenated fullerene carbon, the following intramolecular cyclization with the adjacent aryl group, the facile loss of water, and the second acetylation of the generated indenylidene double bond. However, the similar reaction of the hydrobiphenylated analogue brought about the normal acetylation at the terminal aromatic ring prior to the same sequential reactions as did hydrophenylated fullerenes.

  DOI：

  10.1021/ol801239y

文献信息

• AlCl₃-Catalyzed Tandem Acetylation of Hydroarylated [60]Fullerenes
  作者：Ken Kokubo、Shinya Tochika、Mai Kato、Yui Sol、Takumi Oshima

  DOI：10.1021/ol801239y

  日期：2008.8.7

  The AlCl(3)-catalyzed acetylation of 1,2-hydrophenylated [60]fullerenes, HC(60)-Ar, proceeded via a sequential manner involving the acetylation at the hydrogenated fullerene carbon, the following intramolecular cyclization with the adjacent aryl group, the facile loss of water, and the second acetylation of the generated indenylidene double bond. However, the similar reaction of the hydrobiphenylated analogue brought about the normal acetylation at the terminal aromatic ring prior to the same sequential reactions as did hydrophenylated fullerenes.